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Informationen zum Autor Dr David Willock, Department of Chemistry, Cardiff University, UK Dr Willock is a lecturer in physical chemistry at Cardiff University. His research focuses on computer simulations and computational chemistry. He teaches courses in physical chemistry, group theory and solid state chemistry. Klappentext Das gut verständliche Lehrbuch führt ein in die Grundlagen des Themas, also in die Symmetriepunktgruppen sowie in die Grundzüge der Wechselwirkung zwischen Licht und Molekül. Behandelt werden überdies Elektronenspektren von Übergangsmetall- und anderen Komplexen. Zusammenfassung Molecular Symmetry lays out the formal language in the area using illustrative examples of particular molecules throughout. It then applies the ideas of symmetry to describe molecular structure, bonding in molecules and consider the implications in spectroscopy. Inhaltsverzeichnis Preface. 1. Symmetry Elements and Operations. 1.1 Introduction. 1.2 Symmetry Elements and Operations. 1.3 Examples of the Impact of Geometric Symmetry on Chemistry. 1.4 Summary. 1.5 Self-Test Questions. Further Reading. 2. More Symmetry Operations and Products of Operations. 2.1 Introduction. 2.2 Background to Point Groups. 2.3 Closed Groups and New Operations. 2.4 Properties of Symmetry Operations. 2.5 Chirality and Symmetry. 2.6 Summary. 2.7 Completed Multiplication Tables. 2.8 Self-Test Questions. 3. The Point Groups Used with Molecules. 3.1 Introduction. 3.2 Molecular Classification Using Symmetry Operations. 3.3 Constructing Reference Models with Idealized Symmetry. 3.4 The Nonaxial Groups: Cs,Ci,C1. 3.5 The Cyclic Groups: Cn, Sn. 3.6 Axial Groups Containing Mirror Planes: Cnh and Cnv. 3.6.1 Examples of Axial Groups Containing Mirror Planes: Cnh and Cnv. 3.7 Axial Groups with Multiple Rotation Axes: Dn, Dnd and Dnh. 3.8 Special Groups for Linear Molecules: Cìv and Dìh. 3.9 The Cubic Groups: Td and Oh. 3.10 Assigning Point Groups to Molecules. 3.11 Example Point Group Assignments. 3.12 Self-Test Questions. 4. Point Group Representations, Matrices and Basis Sets. 4.1 Introduction. 4.2 Symmetry Representations and Characters. 4.3 Multiplication Tables for Character Representations. 4.4 Matrices and Symmetry Operations. 4.5 Diagonal and Off-Diagonal Matrix Elements. 4.6 The Trace of a Matrix as the Character for an Operation. 4.7 Noninteger Characters. 4.8 Reducible Representations. 4.9 Classes of Operations. 4.10 Degenerate Irreducible Representations. 4.11 The Labelling of Irreducible Representations. 4.12 Summary. 4.13 Completed Tables. 4.14 Self-Test Questions. Further Reading. 5. Reducible and Irreducible Representations. 5.1 Introduction. 5.2 Irreducible Representations and Molecular Vibrations. 5.3 Finding Reducible Representations. 5.4 Properties of Point Groups and Irreducible Representations. 5.5 The Reduction Formula. 5.6 A Complete Set of Vibrational Modes for H2O. 5.7 Choosing the Basis Set. 5.8 The d-Orbitals in Common Transition Metal Complex Geometries. 5.9 Linear Molecules: Groups of Infinite Order. 5.10 Summary. 5.11 Self-Test Questions. 6. Applications in Vibrational Spectroscopy. 6.1 Introduction. 6.2 Selection Rules. 6.3 General Approach to Analysing Vibrational Spectroscopy. 6.4 Symmetry-Adapted Linear Combinations. 6.5 Normalization. 6.6 The Projector Operator Method. 6.7 Linking Results for Symmetry-Inequivalent Sets of Atoms. 6.8 Additional Examples. 6.9 Summary.
